Basic information
- CAS
69205-13-6- Standard SMILES
CCCCCCCCC(=O)NCCC[N+](C)(C)Cc1ccccc1.[Cl-]- InChIKey
TVVZLALIXIVZOM-UHFFFAOYSA-N- Molecular formula
- C21H37ClN2O
- Average molar mass
- 369 g/mol
- Monoisotopic mass
- 368.2594415
Names & identifiers
- Preferred name
- Benzenemethanaminium, N,N-dimethyl-N-(3-((1-oxononyl)amino)propyl)-, chloride (1:1)
- IUPAC
- benzyl-dimethyl-[3-(nonanoylamino)propyl]azanium chloride
Names & synonyms
3-Pelargonamidopropyldimethylbenzylammonium chloride69205-13-6DTXSID40887655Benzenemethanaminium, N,N-dimethyl-N-(3-((1-oxononyl)amino)propyl)-, chlorideBenzenemethanaminium, N,N-dimethyl-N-(3-((1-oxononyl)amino)propyl)-, chloride (1:1)Benzenemethanaminium, N,N-dimethyl-N-[3-[(1-oxononyl)amino]propyl]-, chlorideBenzenemethanaminium, N,N-dimethyl-N-[3-[(1-oxononyl)amino]propyl]-, chloride (1:1)RefChem:117634DTXCID401026942N-Benzyl-N,N-dimethyl-3-nonanamidopropan-1-aminium chloride
Database identifiers
- CAS
69205-13-6- PubChem CID
- 112259
- DTXSID
DTXSID40887655
Properties
Computed structural properties
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 13
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 322
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzenemethanaminium, N,N-dimethyl-N-[3-[(1-oxononyl)amino]propyl]-, chloride (1:1): INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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